3-(fluoromethyl)-2,5-dihydro-1H-pyrrole

C5H8FN — CID 117205483

IUPAC3-(fluoromethyl)-2,5-dihydro-1H-pyrrole
SMILESFCC1=CCNC1
InChIInChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h1,7H,2-4H2
InChIKeyZZEVVFNNGBVEEK-UHFFFAOYSA-N
MW101.12 g/mol
LogP0.49
Rot. Bonds1

About 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole

3-(fluoromethyl)-2,5-dihydro-1H-pyrrole (PubChem CID 117205483) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-2,5-dihydro-1H-pyrrole
PubChem CID117205483
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name3-(fluoromethyl)-2,5-dihydro-1H-pyrrole
SMILESFCC1=CCNC1
InChIInChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h1,7H,2-4H2
InChIKeyZZEVVFNNGBVEEK-UHFFFAOYSA-N
XLogP0.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole?
The IUPAC name of 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole (CID 117205483) is 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole is FCC1=CCNC1.
What is the InChIKey of 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole?
The InChIKey is ZZEVVFNNGBVEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c6-3-5-1-2-7-4-5/h1,7H,2-4H2.
What are the key properties of 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole?
3-(fluoromethyl)-2,5-dihydro-1H-pyrrole has a molecular weight of 101.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 117205483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).